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International climate protection goals, shrinking fossil energy reserves and a growing global energy demand require the massive integration of renewable energy sources into the global energy system. The utilization of large wind and solar energy resources in international, climatically and geographically favorable regions in order to supply regions worldwide with high-energy requirements poses the challenge of spatial and temporal discrepancies between energy supply and demand. The use of hydrogen based on renewable energies offers a promising option for meeting this challenge. The objective of this work is the conception and techno-economic evaluation of a worldwide hydrogen infrastructure based on renewable energies to cover a future global hydrogen demand. In this context, it is necessary to calculate the worldwide supply potential of renewably produced hydrogen, to identify the significant cost contributions within the framework of the infrastructure and to determine cost-optimal import pathways. The analysis stands out due a temporally and spatially resolved modeling of the electricity generation from wind and solar energy as well as the domestic supply infrastructure for hydrogen. Subject to defined degrees of expansion of the renewable energy technologies, supply and cost curves for hydrogen result, providing the basis for the hydrogen allocation with the aim of minimizing global overall cost. The determined hydrogen supply potential of 1,590 MtH2 in the investigated preferential regions clearly exceeds the projected global demand range of 244 to 487 MtH2 in 2050. More than 75% of the hydrogen potential in the preferential regions can be provided for costs below 4.00 EUR/kgH2. The resulting import costs are affected only to a minor extent by supply and demand variations and range between 3.00 and 4.50 EUR/kgH2 depending on the import region. From an economic point of view, cost optimal wind energy expansion levels for hydrogen export should be aimed for in all selected strong wind regions. At the same time, a massive expansion of photovoltaics is only advisable in a few sunny and geographically favorable regions such as North Africa and the Middle East. Within the scope of the infrastructure, the relevant cost contributions are attributable to electricity production, electrolysis and overseas transport. The worldwide allocation structure, characterized by regionalization, is due to precisely this transport cost influence. Despite the additional domestic distribution infrastructure, hydrogen imports prove to be a cost-effective alternative to conventional fuels in the German transport sector. The results of this work show that a future global hydrogen demand can be covered by renewable, economically competitive hydrogen imports from international preferential regions.

International climate protection goals, shrinking fossil energy reserves and a growing globalenergy demand require the massive integration of renewable energy sources into the globalenergy system. The utilization of large wind and solar energy resources in international, climaticallyand geographically favorable regions in order to supply regions worldwide with highenergyrequirements poses the challenge of spatial and temporal discrepancies between energysupply and demand. The use of hydrogen based on renewable energies offers a promisingoption for meeting this challenge.The objective of this work is the conception and techno-economic evaluation of a worldwidehydrogen infrastructure based on renewable energies to cover a future global hydrogen demand.In this context, it is necessary to calculate the worldwide supply potential of renewablyproduced hydrogen, to identify the significant cost contributions within the framework of theinfrastructure and to determine cost-optimal import pathways. The analysis stands out due atemporally and spatially resolved modeling of the electricity generation from wind and solarenergy as well as the domestic supply infrastructure for hydrogen. Subject to defined degreesof expansion of the renewable energy technologies, supply and cost curves for hydrogen result,providing the basis for the hydrogen allocation with the aim of minimizing global overallcost.The determined hydrogen supply potential of 1,590 MtH2 in the investigated preferential regionsclearly exceeds the projected global demand range of 244 to 487 MtH2 in 2050. More than 75%of the hydrogen potential in the preferential regions can be provided for costs below4.00 EUR/kgH2. The resulting import costs are affected only to a minor extent by supply anddemand variations and range between 3.00 and 4.50 EUR/kgH2 depending on the import region.From an economic point of view, cost optimal wind energy expansion levels for hydrogen exportshould be aimed for in all selected strong wind regions. At the same time, a massiveexpansion of photovoltaics is only advisable in a few sunny and geographically favorable regionssuch as North Africa and the Middle East. Within the scope of the infrastructure, therelevant cost contributions are attributable to electricity production, electrolysis and overseastransport. The worldwide allocation structure, characterized by regionalization, is due to preciselythis transport cost influence. Despite the additional domestic distribution infrastructure,hydrogen imports prove to be a cost-effective alternative to conventional fuels in the Germantransport sector.The results of this work show that a future global hydrogen demand can be covered by renewable,economically competitive hydrogen imports from international preferential regions.Keywords: International hydrogen infrastructure, renewable energy,hydrogen imports, wind energy, photovoltaics

Ziel der bundesdeutschen Klimapolitik ist es, bis zum Jahr 2050 die Treibhausgasemissionen um mindestens 95% gegenüber 1990 zu reduzieren und somit weitestgehend Treibhausgasneutralität zu erreichen. Für das Erreichen einer treibhausgasneutralen Energieversorgung ist der Einsatz von Wasserstoff ein elementarer Baustein. Auf nationaler Ebene wurde von der Bundesregierung eine Wasserstoffstrategie formuliert, mit der die notwendigen technischen und ökonomischen Entwicklungen vorangetrieben werden. Schon heute verfügt das Land Nordrhein-Westfalen über eine funktionierende Wasserstoffinfrastruktur, mit der die industrielle Wasserstoffnachfrage bedient wird. Darüber hinaus wurden von der Landesregierung in Nordrhein-Westfalen bereits Initiativen und Projekte gestartet, welche die gesamte Wasserstoffversorgungskette in den Blick nehmen. Wie ein zukunftsweisendes Wasserstoffsystem für NRW ausgestaltet und etabliert werden kann sowie welche konkreten Handlungsfelder sich daraus ableiten lassen, sind wichtige Fragen, die es zeitnah zu beantworten gilt. Vor diesem Hintergrund beauftragte das Ministerium für Wirtschaft, Innovation, Digitalisierung und Energie des Landes Nordrhein-Westfalen(MWIDE) das Forschungszentrum Jülich mit der Durchführung einer wissenschaftlichen Begleitstudie als eine der Entscheidungsgrundlagen für die Formulierung einer landeseigenen Roadmap Wasserstoff. Folgende Leitfragen standen hierbei im Fokus:$\bullet$ Welche Rolle spielt das Land Nordrhein-Westfalen in einem zukünftigen klimaneutralen Energieversorgungssystem in Deutschland? $\bullet$ Welche Transformationspfade und Handlungsfelder lassen sich für das Land NRW identifizieren, um die gesetzten Treibhausgasreduktionsziele zu erreichen? Welche No-Regret-Maßnahmen lassen sich identifizieren? $\bullet$ Welche Wasserstofferzeugungen und –nachfragen lassen sich für NRW identifizieren und quantifizieren? Wie muss eine adäquate Wasserstoffinfrastruktur ausgestaltet werden? $\bullet$ Welche Bedeutung besitzen innerdeutsche Wasserstofftransporte und internationale Wasserstoffimporte für eine Wasserstoffversorgung in NRW? [...]

The threats of climate change and the sustainable supply of clean energy are global challenges that require an international approach to the energy supply. Utilizing the wind and solar energy potential of regions where these renewable sources are especially viable to produce hydrogen by means of water electrolysis represents an attractive option to counter the above-mentioned challenges. Within the scope of this techno economic analysis of a worldwide hydrogen supply infrastructure based on renewable energy, selected regions are assessed on the basis of their wind or solar energy potential. In contrast to established analyses of hydrogen infrastructures, this paper introduces a worldwide allocation approach to the supply hydrogen from strong wind and solar regions to different demand regions on the premise of a global supply cost minimum. The allocation results show a significant dependence of hydrogen export volumes and the oversea transport distances of potential trading partners. Hence, the transnational trading flows of hydrogen derived from wind and solar energy are concentrated in continental regions.

Dissertation, RWTH Aachen University, 2020; Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. Reihe Energie & Umwelt = Energy & environment 532, 1 Online-Ressource : Illustrationen, Diagramme, Karten (2021). = Dissertation, RWTH Aachen University, 2020, International climate protection goals, shrinking fossil energy reserves and a growing global energy demand require the massive integration of renewable energy sources into the global energy system. The utilization of large wind and solar energy resources in international, climatically and geographically favorable regions in order to supply regions worldwide with high-energy requirements poses the challenge of spatial and temporal discrepancies between energy supply and demand. The use of hydrogen based on renewable energies offers a promising option for meeting this challenge. The objective of this work is the conception and techno-economic evaluation of a worldwide hydrogen infrastructure based on renewable energies to cover a future global hydrogen demand. In this context, it is necessary to calculate the worldwide supply potential of renewably produced hydrogen, to identify the significant cost contributions within the framework of the infrastructure and to determine cost-optimal import pathways. The analysis stands out due a temporally and spatially resolved modeling of the electricity generation from wind and solar energy as well as the domestic supply infrastructure for hydrogen. Subject to defined degrees of expansion of the renewable energy technologies, supply and cost curves for hydrogen result, providing the basis for the hydrogen allocation with the aim of minimizing global overall cost. The determined hydrogen supply potential of 1,590 MtH2 in the investigated preferential regions clearly exceeds the projected global demand range of 244 to 487 MtH2 in 2050. More than 75% of the hydrogen potential in the preferential regions can be provided for costs below 4.00 EUR/kgH2. The resulting import costs are affected only to a minor extent by supply and demand variations and range between 3.00 and 4.50 EUR/kgH2 depending on the import region. From an economic point of view, cost optimal wind energy expansion levels for hydrogen export should be aimed for in all selected strong wind regions. At the same time, a massive expansion of photovoltaics is only advisable in a few sunny and geographically favorable regions such as North Africa and the Middle East. Within the scope of the infrastructure, the relevant cost contributions are attributable to electricity production, electrolysis and overseas transport. The worldwide allocation structure, characterized by regionalization, is due to precisely this transport cost influence. Despite the additional domestic distribution infrastructure, hydrogen imports prove to be a cost-effective alternative to conventional fuels in the German transport sector. The results of this work show that a future global hydrogen demand can be covered by renewable, economically competitive hydrogen imports from international preferential regions., Published by Forschungszentrum Jülich GmbH, Zentralbibliothek, Verlag, Jülich

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Deutschland hat sich zum Ziel gesetzt, die Treibhausgasemissionen bis zum Jahr 2050 um 80 bis 95 % gegenüber dem Emissionsniveau von 1990 zu reduzieren. Die hierfür festgelegten Treibhausgasreduktionspfade werden durch eine Vielzahl von weiteren zum Teil sehr detaillierten Zielsetzungen (z. B. Anteil erneuerbarer Energien an der Stromerzeugung) flankiert, die von der Bundesregierung als notwendig gesehen werden, um die übergeordneten Treibhausgasreduktionsziele zu erreichen. Dieser Zielekanon wurde im Laufe der letzten Dekade sukzessive entwickelt und erweitert. Viele vorliegende Studien, in denen Transformationspfade vorgeschlagen werden, integrieren diesen Zielkanon durch exogene Annahmen und schränken damit das Technikportfolio ein. Dies widerspricht einem Lösungsansatz, der sich vor allem durch Technologieoffenheit auszeichnen sollte. Die Frage, ob es sich bei den vorgeschlagenen Transformationspfaden um kostenoptimale Strategien handelt, bleibt in aller Regel unbeantwortet. Ziel der vorliegenden Studie ist es daher, die kosteneffizientesten CO$_{2}$-Minderungsstrategien zur Erreichung der Klimaschutzziele Deutschlands bis zum Jahr 2050 zu identifizieren [...]

Graphical abstract, Highlights • Data processing and data management services for structural biology. • Enhancements to existing web services for structure solution and analysis. • New pipelines to link these services into more complex higher-level workflows. • New data management facilities. • Making the benefits of European e-Infrastructures more accessible to structural biologists., The West-Life project (https://about.west-life.eu/) is a Horizon 2020 project funded by the European Commission to provide data processing and data management services for the international community of structural biologists, and in particular to support integrative experimental approaches within the field of structural biology. It has developed enhancements to existing web services for structure solution and analysis, created new pipelines to link these services into more complex higher-level workflows, and added new data management facilities. Through this work it has striven to make the benefits of European e-Infrastructures more accessible to life-science researchers in general and structural biologists in particular.

The usage of renewable energy sources (RESs) to achieve greenhouse gas (GHG) emission reduction goals requires a holistic transformation across all sectors. Due to the fluctuating nature of RESs, it is necessary to install more wind and photovoltaics (PVs) generation in terms of nominal power than would otherwise be required in order to ensure that the power demand can always be met. In a near fully RES-based energy system, there will be times when there is an inadequate conventional load to meet the overcapacity of RESs, which will lead to demand regularly being exceeded and thereby a surplus. One approach to making productive use of this surplus, which would lead to a holistic transformation of all sectors, is “sector coupling” (SC). This paper describes the general principles behind this concept and develops a working definition intended to be of utility to the international scientific community. Furthermore, a literature review provides an overview of relevant scientific papers on the topic. Due to the challenge of distinguishing between papers with or without SC, the approach adopted here takes the German context as a case study that can be applied to future reviews with an international focus. Finally, to evaluate the potential of SC, an analysis of the linking of the power and transport sectors on a worldwide, EU and German level has been conducted and is outlined here.

“Linking the power and transport sectors—Part 1” describes the general principle of “sector coupling” (SC), develops a working definition intended of the concept to be of utility to the international scientific community, contains a literature review that provides an overview of relevant scientific papers on this topic and conducts a rudimentary analysis of the linking of the power and transport sectors on a worldwide, EU and German level. The aim of this follow-on paper is to outline an approach to the modelling of SC. Therefore, a study of Germany as a case study was conducted. This study assumes a high share of renewable energy sources (RES) contributing to the grid and significant proportion of fuel cell vehicles (FCVs) in the year 2050, along with a dedicated hydrogen pipeline grid to meet hydrogen demand. To construct a model of this nature, the model environment “METIS” (models for energy transformation and integration systems) we developed will be described in more detail in this paper. Within this framework, a detailed model of the power and transport sector in Germany will be presented in this paper and the rationale behind its assumptions described. Furthermore, an intensive result analysis for the power surplus, utilization of electrolysis, hydrogen pipeline and economic considerations has been conducted to show the potential outcomes of modelling SC. It is hoped that this will serve as a basis for researchers to apply this framework in future to models and analysis with an international focus.

Protein-Protein Docking ist eine bioinformatische Methode, bei der aus zwei Protein Strukturen, von denen bekannt ist, dass sie in vivo aneinander binden, die dreidimensionale Struktur des Komplexes mit atomarer Auflösung vorhergesagt wird. Die Kenntnis der Struktur ist von großem wissenschaftlichem Interesse, da oft nur so die genaue Funktion der jeweiligen Interaktion studiert werden kann. Komplexstrukturen können zwar meistens auch experimentell ermittelt werden, allerdings sind die bekannten Methoden oftmals extrem zeitaufwändig, so dass es einen beträchtlichen Bedarf an in silico Methoden zur Vorhersage von Proteinkomplexstrukturen gibt. Aktuelle Docking Methoden können zwar für die meisten Komplexe eine der nativen Struktur ähnliche Struktur berechnen, allerdings ist diese richtige Vorhersage in der Regel eine von mehreren tausend als möglich vorhergesagten Strukturen. Das Ziel dieser Arbeit war daher die Entwicklung einer Methode zur Identifikation der richtigen, nahe nativen Struktur aus allen als möglich vorhergesagten Strukturen. Um dieses Ziel zu erreichen, wurde die - in den meisten Docking Programmen benutzte - Darstellung der Proteine als 3D-Gitter um Gewichtungsfaktoren erweitert, welche spezifisch für die jeweils repräsentierten Atome und Aminosäuren durch mathematische Methoden optimiert wurden. Die Optimierungen wurden für drei Komplexklassen (Enzym-Inhibitor, Antikörper-Antigen und "Andere") durchgeführt. Die erhaltenen optimierten atom- und aminosäurespezifischen Gewichtungsfaktoren stehen z.T. in Einklang mit zuvor beobachteten Eigenschaften von Protein-Protein Bindungsstellen. So wurden z.B. hohe Gewichtungsfaktoren für aromatische, hydrophobe und rigide Residuen optimiert, während die Optimierung für Aminosäuren mit langen flexiblen Seitenketten eher niedrige Faktoren ergeben hat. Da die erhaltenen Gewichtungsfaktoren für Enzym-Inhibitor Komplexe in Relation zu der Anzahl frei drehbarer Seitenketten stehen, ist die in dieser Arbeit vorgestellte Methode eine äußerst effiziente Möglichkeit Flexibilität beim Docking zu berücksichtigen. Durch eine Sortierung der potentiellen Komplexstrukturen nach der mit den Gewichtungsfaktoren berechneten geometrischen Korrelation in Kombination mit Martins umfassender Scoringfunktion kann der Anteil an Komplexen, für die eine nahe native Struktur unter den ersten 10 vorhergesagten Strukturen liegt, verzehnfacht werden. Für 80% der Enzym-Inhibitor und der Antikörper-Antigen Komplexe wird nach Anwendung der Gewichtungsfaktoren mindestens eine nahe native Struktur im ersten Prozent der sortierten Vorhersage gefunden. Um für 80% der "Anderen" Komplexe mindestens eine nahe native Struktur zu finden, müssen die ersten 8% der Vorhersage durchsucht werden.